NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3188 8.2493 123.5811 50.9864 18.7795 176.1813 7 P 4.2415 0.0000 0.0000 61.9009 32.0125 175.6195 8 D 4.7572 9.6520 122.5317 51.9231 43.6693 178.0639 9 F 3.9527 8.7889 119.8923 62.3166 38.9115 176.7280 10 H 4.6466 8.2469 114.8093 58.6545 28.5590 177.2906 11 D 4.3278 8.7874 120.4062 57.2810 40.7202 178.5662 12 K 3.8164 7.7189 117.7777 58.1935 32.3747 177.9515 13 Y 4.8092 7.9302 114.7302 57.0715 39.3567 177.7605 14 G 3.9648 8.2587 108.2666 48.3517 0.0000 175.5004 15 N 4.3787 8.1534 118.5184 55.7076 38.6290 177.3720 16 A 4.0401 7.9441 121.8609 55.0280 18.5833 179.7167 17 V 3.5778 8.1033 116.9807 65.9241 31.6759 177.9605 18 L 3.9570 8.3170 120.2238 58.1813 41.9412 178.9312 19 A 4.0307 7.9941 120.6730 55.1270 18.4926 179.6342 20 S 4.3624 8.2767 112.6998 60.7816 63.3917 176.7475 21 G 3.7814 8.3345 109.5406 47.8505 0.0000 175.5085 22 A 4.0680 8.0287 123.3234 55.0552 18.4682 179.8265 23 T 3.8335 8.1253 114.3055 66.6973 68.4816 176.5225 24 F 4.2391 8.4389 122.4557 61.5136 39.4883 176.4270 25 C 3.9387 8.2744 118.1083 62.5838 31.3131 175.4031 26 V 3.6115 7.7747 119.4017 66.1467 31.0430 177.8580 27 A 4.0076 7.9216 120.1894 55.3034 18.3485 180.0997 28 V 3.5444 7.7794 117.8644 64.5643 31.3859 178.6664 29 W 3.9215 8.3527 119.7891 59.4426 28.7233 178.6802 30 V 3.6760 8.2276 118.4852 66.0159 30.9198 177.4274 31 Y 3.9867 8.2011 119.2455 60.9950 38.5169 177.4673 32 M 3.8548 8.0029 117.3889 58.8733 32.3423 177.7930 33 A 4.6445 8.1884 119.4160 54.1881 18.7480 177.9884 34 T 4.5471 7.6635 105.0406 61.4700 70.5940 174.8296 35 Q 4.4447 8.1952 119.4778 55.4319 29.4635 175.5847 36 I 4.2939 7.4053 109.5994 60.2675 38.1215 175.8138 37 G 3.8059 8.2467 106.9732 46.4092 0.0000 173.9384 38 I 3.4639 7.4751 120.1719 60.6343 37.4311 175.3225 39 E 4.2634 8.2372 126.4259 54.7571 29.3240 175.7062 40 W 4.1861 8.7755 127.2490 57.3202 30.2156 176.0917 41 N 4.1620 8.5595 116.2511 53.9662 36.7554 170.7074 42 P 4.5864 0.0000 0.0000 61.7213 33.0634 176.4785 43 S 4.1366 8.4698 113.0366 58.2300 62.5754 172.5721 44 P 4.3316 0.0000 0.0000 64.6674 31.5010 176.4542 45 V 3.7274 7.2710 118.5428 64.4349 31.3655 176.2108 46 G 4.0126 9.1339 115.3167 45.5770 0.0000 173.2305 47 R 4.3459 8.3607 117.9999 56.8413 32.3326 175.6003 48 V 4.1443 7.6053 115.8623 61.5361 32.7750 174.9614 49 T 4.3477 8.2717 123.6128 61.5791 68.6788 173.1198 50 P 4.4426 0.0000 0.0000 62.5250 32.0361 176.0779 51 K 4.7387 8.2436 120.3193 54.0144 35.2436 176.0459 52 E 4.0709 8.8107 121.2909 56.8136 29.8383 177.0817 53 W 4.7128 8.0071 118.3181 56.8928 30.5270 175.4555 54 R 3.5834 6.6730 122.6358 56.1469 29.3555 175.6835 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 6 A 8.25 4.32 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.24 0.00 2.18 2.02 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 8 D 9.65 4.76 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.79 3.95 0.00 3.23 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.25 4.65 0.00 3.41 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.79 4.33 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.72 3.82 0.00 0.79 0.89 0.00 1.18 0.00 0.00 1.47 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.17 1.37 7.81 13 Y 7.93 4.81 0.00 2.38 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.26 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.15 4.38 0.00 2.75 2.89 0.00 0.00 6.94 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.94 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.10 3.58 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.11 0.00 0.00 18 L 8.32 3.96 0.00 1.91 1.89 0.95 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.99 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.28 4.36 0.00 4.11 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.33 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.03 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.13 3.83 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 24 F 8.44 4.24 0.00 3.19 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.27 3.94 0.00 3.26 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.77 3.61 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.95 0.00 0.00 27 A 7.92 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.78 3.54 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.73 0.00 0.00 29 W 8.35 3.92 0.00 3.50 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.23 3.68 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.01 0.00 0.00 31 Y 8.20 3.99 0.00 3.09 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.00 3.85 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 33 A 8.19 4.64 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.66 4.55 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 35 Q 8.20 4.44 0.00 0.99 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.19 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 36 I 7.41 4.29 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 0.66 0.00 0.00 37 G 8.25 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.48 3.46 1.52 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.36 -0.35 0.00 0.00 39 E 8.24 4.26 0.00 1.82 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 40 W 8.78 4.19 0.00 3.35 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.56 4.16 0.00 2.81 2.85 0.00 0.00 7.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.59 0.00 2.24 2.10 0.00 3.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 43 S 8.47 4.14 0.00 3.86 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.33 0.00 2.22 2.09 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.27 3.73 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.13 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.36 4.35 0.00 1.69 1.89 0.00 3.27 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 48 V 7.61 4.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.94 0.00 0.00 49 T 8.27 4.35 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 50 P 0.00 4.44 0.00 2.08 2.03 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 51 K 8.24 4.74 0.00 1.75 1.72 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.59 7.81 52 E 8.81 4.07 0.00 1.92 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 53 W 8.01 4.71 0.00 3.49 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 6.67 3.58 0.00 0.67 1.27 0.00 3.02 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00